N-[(1S)-1-cyclohexylethyl]-3-[(3-oxidanylidene-4-propyl-piperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxidanylidene-4-propyl-piperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxo-4-propyl-piperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxo-4-propyl-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxo-4-propylpiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-keto-4-propyl-piperazino)methyl]-2-phenyl-cinchoninamide Formula: C32H40N4O2 MolecularWeight: 512.6856

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1=O)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)NC(C)C5CCCCC5

Isomeric SMILES

CCCN1CCN(CC1=O)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)N[C@@H](C)C5CCCCC5

InChI

InChI=1S/C32H40N4O2/c1-3-18-36-20-19-35(22-29(36)37)21-27-30(32(38)33-23(2)24-12-6-4-7-13-24)26-16-10-11-17-28(26)34-31(27)25-14-8-5-9-15-25/h5,8-11,14-17,23-24H,3-4,6-7,12-13,18-22H2,1-2H3,(H,33,38)/t23-/m0/s1